2-(4-chlorophenyl)sulfanyl-N-(3-nitro-4-piperazin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3-nitro-4-piperazin-1-yl-phenyl)ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3-nitro-4-piperazin-1-yl-phenyl)acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-nitro-4-(1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3-nitro-4-piperazino-phenyl)acetamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O3S/c19-13-1-4-15(5-2-13)27-12-18(24)21-14-3-6-16(17(11-14)23(25)26)22-9-7-20-8-10-22/h1-6,11,20H,7-10,12H2,(H,21,24)