4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[4-(3-bromophenyl)thiazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[4-(3-bromophenyl)-2-thiazolyl]-N-(4-methoxy-2-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[4-(3-bromophenyl)thiazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)piperidine-1-carbothioamide Formula: C22H21BrN4O3S2 MolecularWeight: 533.46114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN4O3S2/c1-30-17-5-6-18(20(12-17)27(28)29)25-22(31)26-9-7-14(8-10-26)21-24-19(13-32-21)15-3-2-4-16(23)11-15/h2-6,11-14H,7-10H2,1H3,(H,25,31)