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

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Formula: C21H22FN3OS MolecularWeight: 383.482283

Click to see the large picture

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)NC)C

Isomeric SMILES

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

InChI

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