(3E)-3-[[tert-butyl(phenyl)amino]-sulfanyl-methylidene]-6-chloranyl-1-methyl-quinoline-2,4-dione

Systemtic Name: (3E)-3-[[tert-butyl(phenyl)amino]-sulfanyl-methylidene]-6-chloranyl-1-methyl-quinoline-2,4-dione Openeye Name: (3E)-3-[(N-tert-butylanilino)-sulfanyl-methylene]-6-chloro-1-methyl-quinoline-2,4-dione CAS Name: (3E)-3-[(N-tert-butylanilino)-mercaptomethylidene]-6-chloro-1-methylquinoline-2,4-dione IUPAC Name: (3E)-3-[(N-tert-butylanilino)-sulfanylmethylidene]-6-chloro-1-methylquinoline-2,4-dione Traditional Name: (3E)-3-[(N-tert-butylanilino)-mercapto-methylene]-6-chloro-1-methyl-quinoline-2,4-quinone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1=CC=CC=C1)C(=C2C(=O)C3=C(C=CC(=C3)Cl)N(C2=O)C)S

Isomeric SMILES

CC(C)(C)N(C1=CC=CC=C1)/C(=C\2/C(=O)C3=C(C=CC(=C3)Cl)N(C2=O)C)/S

InChI

InChI=1S/C21H21ClN2O2S/c1-21(2,3)24(14-8-6-5-7-9-14)20(27)17-18(25)15-12-13(22)10-11-16(15)23(4)19(17)26/h5-12,27H,1-4H3/b20-17+