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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3OS/c1-18-6-5-9-21-14-22(25(31)29-24(18)21)17-30(16-20-10-12-23(27)13-11-20)26(32)28-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,28,32)(H,29,31)