2-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-[4-(methylthio)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(4-methylsulfanylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-keto-2-[4-(methylthio)anilino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

InChI

InChI=1S/C19H21N3O2S/c1-25-16-8-6-15(7-9-16)21-18(23)12-22-11-14-5-3-2-4-13(14)10-17(22)19(20)24/h2-9,17H,10-12H2,1H3,(H2,20,24)(H,21,23)