4-[(2-methylphenyl)amino]-8-methylsulfanyl-N-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 4-[(2-methylphenyl)amino]-8-methylsulfanyl-N-prop-2-enyl-quinoline-3-carboxamide Openeye Name: N-allyl-4-(2-methylanilino)-8-methylsulfanyl-quinoline-3-carboxamide CAS Name: 4-(2-methylanilino)-8-(methylthio)-N-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 4-(2-methylanilino)-8-methylsulfanyl-N-prop-2-enylquinoline-3-carboxamide Traditional Name: N-allyl-8-(methylthio)-4-(o-toluidino)quinoline-3-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCC=C)SC

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCC=C)SC

InChI

InChI=1S/C21H21N3OS/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)