1-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(p-tolyl)thiourea CAS Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[2-(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)ethyl]-3-(p-tolyl)thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-13-4-6-15(7-5-13)23-21(28)22-11-10-14-12-16-17(26-2)8-9-18(27-3)19(16)24-20(14)25/h4-9,12H,10-11H2,1-3H3,(H,24,25)(H2,22,23,28)