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

Systemtic Name: 1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethyl]-3-(o-tolyl)thiourea Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=CC=C3C)C

InChI

InChI=1S/C21H23N3OS/c1-13-8-9-16-12-17(20(25)24-19(16)15(13)3)10-11-22-21(26)23-18-7-5-4-6-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,24,25)(H2,22,23,26)