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

Systemtic Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclohexyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H33N3O3S/c1-32-24-16-20-15-21(26(31)29-23(20)17-25(24)33-2)18-30(22-11-7-4-8-12-22)27(34)28-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,15-17,22H,4,7-8,11-14,18H2,1-2H3,(H,28,34)(H,29,31)