1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea Openeye Name: 1,3-dibenzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea IUPAC Name: 1,3-dibenzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1,3-dibenzyl-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3OS/c1-19-13-20(2)25-23(14-19)15-24(26(31)29-25)18-30(17-22-11-7-4-8-12-22)27(32)28-16-21-9-5-3-6-10-21/h3-15H,16-18H2,1-2H3,(H,28,32)(H,29,31)