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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chloro-4-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=CC(=C(C=C3)N4CCCCC4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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