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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O3S2/c1-30-22-12-18-11-19(24(29)27-21(18)13-23(22)31-2)15-28(16-20-9-6-10-33-20)25(32)26-14-17-7-4-3-5-8-17/h3-13H,14-16H2,1-2H3,(H,26,32)(H,27,29)