4-(4-methylpiperidin-1-yl)-3-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H34N6O4S MolecularWeight: 538.66166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H34N6O4S/c1-3-25(34)32-16-14-30(15-17-32)22-7-5-21(6-8-22)28-27(38)29-26(35)20-4-9-23(24(18-20)33(36)37)31-12-10-19(2)11-13-31/h4-9,18-19H,3,10-17H2,1-2H3,(H2,28,29,35,38)