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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H22FN3OS/c1-13-9-17-11-16(20(26)25-19(17)10-14(13)2)7-8-23-21(27)24-12-15-3-5-18(22)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,25,26)(H2,23,24,27)