2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-cyanophenyl)thio]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C(=O)N

InChI

InChI=1S/C23H19N3O2S2/c24-13-14-7-1-4-10-17(14)29-19-12-6-3-9-16(19)22(28)26-23-20(21(25)27)15-8-2-5-11-18(15)30-23/h1,3-4,6-7,9-10,12H,2,5,8,11H2,(H2,25,27)(H,26,28)