4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-3-nitro-benzamide Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4O3S/c18-16-4-3-14(26-16)11-21-7-5-20(6-8-21)10-13-2-1-12(17(19)23)9-15(13)22(24)25/h1-4,9H,5-8,10-11H2,(H2,19,23)