N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]nicotinamide Formula: C24H22ClN5O2S MolecularWeight: 479.98178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22ClN5O2S/c25-20-15-19(27-24(33)28-22(31)18-7-4-10-26-16-18)8-9-21(20)29-11-13-30(14-12-29)23(32)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2,(H2,27,28,31,33)