N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylthiophen-2-yl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylthiophen-2-yl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(3-methyl-2-thienyl)methylamino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methyl-2-thiophenyl)methylamino]-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylthiophen-2-yl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(3-methyl-2-thienyl)methylamino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C35H40N6O2S MolecularWeight: 608.7961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNCC(CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)N(C)C(=O)C4=CC=CC=C4)NCC5=NC=CN5

Isomeric SMILES

CC1=C(SC=C1)CNCC(CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)N(C)C(=O)C4=CC=CC=C4)NCC5=NC=CN5

InChI

InChI=1S/C35H40N6O2S/c1-24-16-19-44-32(24)22-36-21-28(39-23-33-37-17-18-38-33)20-31(41(3)35(43)27-11-5-4-6-12-27)34(42)40-25(2)29-15-9-13-26-10-7-8-14-30(26)29/h4-19,25,28,31,36,39H,20-23H2,1-3H3,(H,37,38)(H,40,42)