2-oxidanylidene-5-(2-phenylsulfanylethanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-5-(2-phenylsulfanylethanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-5-[(2-phenylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 2-oxo-5-[[1-oxo-2-(phenylthio)ethyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-5-[(2-phenylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 2-keto-5-[[2-(phenylthio)acetyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c19-17(23)13-9-12-14(7-4-8-15(12)21-18(13)24)20-16(22)10-25-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H2,19,23)(H,20,22)(H,21,24)