N-[1-[[1-benzamido-3-(1H-indol-3-yl)-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-[[1-benzamido-3-(1H-indol-3-yl)-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-benzamido-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-benzamido-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-benzamido-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-benzamido-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-[4-(3-thienyl)benzyl]ethyl]-N,3,5-trimethyl-benzamide Formula: C41H38N4O4S MolecularWeight: 682.82982

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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)NC(=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)NC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C41H38N4O4S/c1-26-19-27(2)21-32(20-26)41(49)45(3)37(22-28-13-15-29(16-14-28)31-17-18-50-25-31)40(48)43-36(23-33-24-42-35-12-8-7-11-34(33)35)39(47)44-38(46)30-9-5-4-6-10-30/h4-21,24-25,36-37,42H,22-23H2,1-3H3,(H,43,48)(H,44,46,47)