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

Systemtic Name: N-butyl-2-[(3-cyanophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[(3-cyanophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[(3-cyanobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23N3O2S/c1-2-3-11-23-20(26)18-16-9-4-5-10-17(16)27-21(18)24-19(25)15-8-6-7-14(12-15)13-22/h6-8,12H,2-5,9-11H2,1H3,(H,23,26)(H,24,25)