1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(2-thenyl)thiourea Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

COCCNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C21H25N3O4S2/c1-26-7-6-22-21(29)24(13-16-5-4-8-30-16)12-15-9-14-10-18(27-2)19(28-3)11-17(14)23-20(15)25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,22,29)(H,23,25)