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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C26H25N3O3S MolecularWeight: 459.56

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=CC=C3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O3S/c1-31-23-14-19-13-20(25(30)28-22(19)15-24(23)32-2)17-29(16-18-9-5-3-6-10-18)26(33)27-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,27,33)(H,28,30)