1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-13-8-14(2)18-10-16(20(26)24-19(18)9-13)12-25(21(27)23-3)11-15-4-6-17(22)7-5-15/h4-10H,11-12H2,1-3H3,(H,23,27)(H,24,26)