(3S)-3-(dimethylamino)-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-3-thiophen-3-yl-propanamide

Systemtic Name: (3S)-3-(dimethylamino)-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-3-thiophen-3-yl-propanamide Openeye Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-(3-thienyl)propanamide CAS Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-(3-thiophenyl)propanamide IUPAC Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-thiophen-3-ylpropanamide Traditional Name: (3S)-3-(dimethylamino)-N-(1-keto-2H-isoquinolin-6-yl)-3-(3-thienyl)propionamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(=O)NC1=CC2=C(C=C1)C(=O)NC=C2)C3=CSC=C3

Isomeric SMILES

CN(C)[C@@H](CC(=O)NC1=CC2=C(C=C1)C(=O)NC=C2)C3=CSC=C3

InChI

InChI=1S/C18H19N3O2S/c1-21(2)16(13-6-8-24-11-13)10-17(22)20-14-3-4-15-12(9-14)5-7-19-18(15)23/h3-9,11,16H,10H2,1-2H3,(H,19,23)(H,20,22)/t16-/m0/s1