1-cyclohexyl-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-cyclohexyl-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclohexyl-3-isobutyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclohexyl-3-isobutyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3CCCCC3

Isomeric SMILES

CC(C)CNC(=S)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O2S/c1-15(2)13-23-22(28)25(18-7-5-4-6-8-18)14-17-11-16-12-19(27-3)9-10-20(16)24-21(17)26/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,23,28)(H,24,26)