(3E)-6-chloranyl-3-[[3-methoxypropyl(phenyl)amino]-sulfanyl-methylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: (3E)-6-chloranyl-3-[[3-methoxypropyl(phenyl)amino]-sulfanyl-methylidene]-1-methyl-quinoline-2,4-dione Openeye Name: (3E)-6-chloro-3-[[N-(3-methoxypropyl)anilino]-sulfanyl-methylene]-1-methyl-quinoline-2,4-dione CAS Name: (3E)-6-chloro-3-[mercapto-[N-(3-methoxypropyl)anilino]methylidene]-1-methylquinoline-2,4-dione IUPAC Name: (3E)-6-chloro-3-[[N-(3-methoxypropyl)anilino]-sulfanylmethylidene]-1-methylquinoline-2,4-dione Traditional Name: (3E)-6-chloro-3-[mercapto-[N-(3-methoxypropyl)anilino]methylene]-1-methyl-quinoline-2,4-quinone Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=O)C(=C(N(CCCOC)C3=CC=CC=C3)S)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=O)/C(=C(/N(CCCOC)C3=CC=CC=C3)\S)/C1=O

InChI

InChI=1S/C21H21ClN2O3S/c1-23-17-10-9-14(22)13-16(17)19(25)18(20(23)26)21(28)24(11-6-12-27-2)15-7-4-3-5-8-15/h3-5,7-10,13,28H,6,11-12H2,1-2H3/b21-18+