5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-phenethyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-phenethyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-phenethyl-benzothiophene-2-carboxamide CAS Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]-N-phenethyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-phenethyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[besyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]-N-phenethyl-benzothiophene-2-carboxamide Formula: C35H29N5O3S2 MolecularWeight: 631.76646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CN=CN4CC5=CC=C(C=C5)C#N)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CN=CN4CC5=CC=C(C=C5)C#N)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H29N5O3S2/c36-21-27-11-13-28(14-12-27)23-39-25-37-22-31(39)24-40(45(42,43)32-9-5-2-6-10-32)30-15-16-33-29(19-30)20-34(44-33)35(41)38-18-17-26-7-3-1-4-8-26/h1-16,19-20,22,25H,17-18,23-24H2,(H,38,41)