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

Systemtic Name: 2-[(3-cyanophenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c25-14-17-9-6-10-18(13-17)22(28)27-24-21(19-11-4-5-12-20(19)30-24)23(29)26-15-16-7-2-1-3-8-16/h1-3,6-10,13H,4-5,11-12,15H2,(H,26,29)(H,27,28)