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

Systemtic Name: 3-butyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-butyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-butyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S2/c1-4-5-8-23-22(29)25(14-17-7-6-9-30-17)13-16-10-15-11-19(27-2)20(28-3)12-18(15)24-21(16)26/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,23,29)(H,24,26)