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

Systemtic Name: 2-oxidanylidene-5-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-5-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 2-oxo-5-[[1-oxo-3-(phenylthio)propyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-5-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 2-keto-5-[3-(phenylthio)propanoylamino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c20-18(24)14-11-13-15(7-4-8-16(13)22-19(14)25)21-17(23)9-10-26-12-5-2-1-3-6-12/h1-3,5-6,11,15H,4,7-10H2,(H2,20,24)(H,21,23)(H,22,25)