1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-benzyl-3-(4-fluorophenyl)-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C26H24FN3OS MolecularWeight: 445.551663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H24FN3OS/c1-17-8-9-20-14-21(25(31)29-24(20)18(17)2)16-30(15-19-6-4-3-5-7-19)26(32)28-23-12-10-22(27)11-13-23/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)