[1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-3-23(26(33)32-27-20(15-29)19-11-9-16(2)13-24(19)36-27)35-28(34)18-10-12-21-22(14-18)31-25(30-21)17-7-5-4-6-8-17/h4-8,10,12,14,16,23H,3,9,11,13H2,1-2H3,(H,30,31)(H,32,33)