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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C26H27N3O3S2/c1-4-17-8-5-6-10-21(17)28-26(33)29(16-20-9-7-11-34-20)15-19-12-18-13-23(31-2)24(32-3)14-22(18)27-25(19)30/h5-14H,4,15-16H2,1-3H3,(H,27,30)(H,28,33)