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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O4S/c27-19-6-4-5-17(15-19)24(33)28-20-8-10-21(11-9-20)29-26(37)30-25(34)18-7-12-22(23(16-18)32(35)36)31-13-2-1-3-14-31/h4-12,15-16H,1-3,13-14H2,(H,28,33)(H2,29,30,34,37)