1-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclohexyl-3-isobutyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclohexyl-3-isobutyl-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCC(C)C

InChI

InChI=1S/C22H31N3OS/c1-15(2)13-23-22(27)25(19-10-5-4-6-11-19)14-18-12-17-9-7-8-16(3)20(17)24-21(18)26/h7-9,12,15,19H,4-6,10-11,13-14H2,1-3H3,(H,23,27)(H,24,26)