1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-5,8-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=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4

InChI

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