4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-1-methyl-quinolin-2-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-1-methyl-quinolin-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-1-methyl-quinolin-2-one CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-1-methyl-2-quinolinone IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-1-methylquinolin-2-one Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-1-methyl-carbostyril Formula: C18H21ClN2O2S MolecularWeight: 364.88954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H21ClN2O2S/c1-20-15-10-13(19)6-7-14(15)16(11-17(20)22)24-12-18(23)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3