N-(3-aminocarbonylthiophen-2-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(3-carbamoyl-2-thienyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-(3-carbamoyl-2-thiophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(3-carbamoylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-(3-carbamoyl-2-thienyl)-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=CC=C3)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NC4=C(C=CS4)C(=O)N

InChI

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