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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-phenethyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-phenethyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-phenethylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-phenethylthiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-phenethyl-thiourea Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CNC(=S)N(CCC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C22H25N3O3S/c1-23-22(29)25(10-9-15-7-5-4-6-8-15)14-17-11-16-12-19(27-2)20(28-3)13-18(16)24-21(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,29)(H,24,26)