1-cyclohexyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-cyclohexyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-cyclohexyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-30-22-13-12-19-14-20(24(29)27-23(19)15-22)17-28(21-10-6-3-7-11-21)25(31)26-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,26,31)(H,27,29)