(3,5-dimethylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: (3,5-dimethylpiperidino)-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]methanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O3S2/c1-11-6-12(2)9-20(8-11)17(22)14-4-5-16(15(7-14)21(23)24)26-18-19-13(3)10-25-18/h4-5,7,10-12H,6,8-9H2,1-3H3