N-[1-[[3-(1H-indol-3-yl)-1-[methyl(phenylsulfonyl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-(4-thiophen-3-ylphenyl)propan-2-yl]-N,3,5-trimethyl-benzamide

Systemtic Name: N-[1-[[3-(1H-indol-3-yl)-1-[methyl(phenylsulfonyl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-(4-thiophen-3-ylphenyl)propan-2-yl]-N,3,5-trimethyl-benzamide Openeye Name: N-[2-[[2-[benzenesulfonyl(methyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-[[4-(3-thienyl)phenyl]methyl]ethyl]-N,3,5-trimethyl-benzamide CAS Name: N-[1-[[1-[benzenesulfonyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-[4-(3-thiophenyl)phenyl]propan-2-yl]-N,3,5-trimethylbenzamide IUPAC Name: N-[1-[[1-[benzenesulfonyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-thiophen-3-ylphenyl)propan-2-yl]-N,3,5-trimethylbenzamide Traditional Name: N-[2-[[2-[besyl(methyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-[4-(3-thienyl)benzyl]ethyl]-N,3,5-trimethyl-benzamide Formula: C41H40N4O5S2 MolecularWeight: 732.9101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N(C)S(=O)(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N(C)S(=O)(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C41H40N4O5S2/c1-27-20-28(2)22-32(21-27)40(47)44(3)38(23-29-14-16-30(17-15-29)31-18-19-51-26-31)39(46)43-37(24-33-25-42-36-13-9-8-12-35(33)36)41(48)45(4)52(49,50)34-10-6-5-7-11-34/h5-22,25-26,37-38,42H,23-24H2,1-4H3,(H,43,46)