2-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide Openeye Name: 2-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methyleneamino]acetamide CAS Name: 2-[(6-bromo-2-methyl-4-quinolinyl)thio]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide IUPAC Name: 2-(6-bromo-2-methylquinolin-4-yl)sulfanyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide Traditional Name: 2-[(6-bromo-2-methyl-4-quinolyl)thio]-N-[(E)-[4-(dimethylamino)benzylidene]amino]acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(=O)NN=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(=O)N/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H21BrN4OS/c1-14-10-20(18-11-16(22)6-9-19(18)24-14)28-13-21(27)25-23-12-15-4-7-17(8-5-15)26(2)3/h4-12H,13H2,1-3H3,(H,25,27)/b23-12+