4-chloranyl-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4S/c1-13-8-10-25(11-9-13)20(28)15-4-2-3-5-17(15)23-21(31)24-19(27)14-6-7-16(22)18(12-14)26(29)30/h2-7,12-13H,8-11H2,1H3,(H2,23,24,27,31)