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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C24H28ClN5O3S MolecularWeight: 502.02882

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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(=CC=C3)Cl)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H28ClN5O3S/c25-18-8-7-9-19(22(18)29-14-5-2-6-15-29)26-24(34)27-23(31)17-10-11-20(21(16-17)30(32)33)28-12-3-1-4-13-28/h7-11,16H,1-6,12-15H2,(H2,26,27,31,34)