1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=C(C=C3)F)C

InChI

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