2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S2/c30-21(15-32-25-27-18-11-5-6-12-19(18)28-25)29-24-22(17-10-4-7-13-20(17)33-24)23(31)26-14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12H,4,7,10,13-15H2,(H,26,31)(H,27,28)(H,29,30)