N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H19ClN4O4S/c23-18-14-16(24-21(28)15-3-1-4-17(13-15)27(30)31)6-7-19(18)25-8-10-26(11-9-25)22(29)20-5-2-12-32-20/h1-7,12-14H,8-11H2,(H,24,28)