1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethylsulfanyl)-1H-quinolin-6-yl]-3-cyclopropyl-urea

Systemtic Name: 1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethylsulfanyl)-1H-quinolin-6-yl]-3-cyclopropyl-urea Openeye Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethylsulfanyl]-1H-quinolin-6-yl]-3-cyclopropyl-urea CAS Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethylthio]-1H-quinolin-6-yl]-3-cyclopropylurea IUPAC Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethylsulfanyl)-1H-quinolin-6-yl]-3-cyclopropylurea Traditional Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethylthio]-1H-quinolin-6-yl]-3-cyclopropyl-urea Formula: C28H33ClN4O2S MolecularWeight: 525.10522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)NC4CC4)SCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)NC4CC4)SCCC5CCCCN5)C

InChI

InChI=1S/C28H33ClN4O2S/c1-16-11-17(2)13-18(12-16)25-26(36-10-8-19-5-3-4-9-30-19)21-14-24(33-28(35)31-20-6-7-20)22(29)15-23(21)32-27(25)34/h11-15,19-20,30H,3-10H2,1-2H3,(H,32,34)(H2,31,33,35)