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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenethyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenethyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenethylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenethylthiourea Traditional Name: 1-(2-hydroxyethyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H27N3O4S/c1-29-20-13-17-12-18(22(28)25-19(17)14-21(20)30-2)15-26(10-11-27)23(31)24-9-8-16-6-4-3-5-7-16/h3-7,12-14,27H,8-11,15H2,1-2H3,(H,24,31)(H,25,28)