2-oxidanylidene-5-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-5-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-5-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 2-oxo-5-[[1-oxo-4-(phenylthio)butyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-5-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 2-keto-5-[4-(phenylthio)butanoylamino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c21-19(25)15-12-14-16(8-4-9-17(14)23-20(15)26)22-18(24)10-5-11-27-13-6-2-1-3-7-13/h1-3,6-7,12,16H,4-5,8-11H2,(H2,21,25)(H,22,24)(H,23,26)