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

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-benzyl-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C28H29N3OS MolecularWeight: 455.61436

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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)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3OS/c1-20-15-21(2)26-24(16-20)17-25(27(32)30-26)19-31(18-23-11-7-4-8-12-23)28(33)29-14-13-22-9-5-3-6-10-22/h3-12,15-17H,13-14,18-19H2,1-2H3,(H,29,33)(H,30,32)