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

Systemtic Name: (5S)-2-[(4-cyanophenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-2-[(4-cyanobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-2-[(4-cyanobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-2-[(4-cyanobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)N

InChI

InChI=1S/C18H17N3O2S/c1-10-2-7-14-13(8-10)15(16(20)22)18(24-14)21-17(23)12-5-3-11(9-19)4-6-12/h3-6,10H,2,7-8H2,1H3,(H2,20,22)(H,21,23)/t10-/m0/s1