N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-propoxybenzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-propoxy-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4S/c1-2-13-30-16-6-3-5-15(14-16)20(27)23-21(31)25-11-9-24(10-12-25)19-17(22)7-4-8-18(19)26(28)29/h3-8,14H,2,9-13H2,1H3,(H,23,27,31)