N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrN4O3S/c1-13-11-15(6-7-16(13)21)22-20(29)23-19(26)14-5-8-17(18(12-14)25(27)28)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26,29)