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

Systemtic Name: 1-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[2-(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-15-6-4-5-14(12-15)23-21(29)22-10-9-13-11-16-17(27-2)7-8-18(28-3)19(16)24-20(13)25/h4-8,11-12H,9-10H2,1-3H3,(H,24,25)(H2,22,23,29)