1-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea IUPAC Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-cyclohexyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O3S/c1-30-22-14-17-13-18(24(29)27-21(17)15-23(22)31-2)16-28(20-11-7-4-8-12-20)25(32)26-19-9-5-3-6-10-19/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,26,32)(H,27,29)