1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea

Systemtic Name: 1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea Openeye Name: 1,3-dibenzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea IUPAC Name: 1,3-dibenzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1,3-dibenzyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-31-23-13-12-21-14-22(25(30)28-24(21)15-23)18-29(17-20-10-6-3-7-11-20)26(32)27-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,27,32)(H,28,30)