1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C26H24FN3OS MolecularWeight: 445.551663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4)C

InChI

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