N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-[[(2-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H24ClN5O4S MolecularWeight: 538.01786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H24ClN5O4S/c27-21-10-3-2-9-20(21)25(34)28-18-7-6-8-19(16-18)29-26(37)30-24(33)17-11-12-22(23(15-17)32(35)36)31-13-4-1-5-14-31/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,28,34)(H2,29,30,33,37)