2-[4-(thiophen-2-ylcarbonylamino)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(thiophen-2-ylcarbonylamino)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(thiophene-2-carbonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[oxo-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(thiophene-2-carbonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(2-thenoylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N

InChI

InChI=1S/C22H19N3O3S/c23-20(26)18-12-15-4-1-2-5-16(15)13-25(18)22(28)14-7-9-17(10-8-14)24-21(27)19-6-3-11-29-19/h1-11,18H,12-13H2,(H2,23,26)(H,24,27)