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

Systemtic Name: N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O4S/c27-19-10-11-21(20(16-19)24(32)17-7-3-1-4-8-17)28-26(36)29-25(33)18-9-12-22(23(15-18)31(34)35)30-13-5-2-6-14-30/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H2,28,29,33,36)