2-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C18H20ClN5O4S MolecularWeight: 437.9005

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C(=O)N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C(=O)N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O4S/c19-12-1-2-14(15(11-12)24(27)28)23-8-6-22(7-9-23)5-3-16(25)21-18-13(17(20)26)4-10-29-18/h1-2,4,10-11H,3,5-9H2,(H2,20,26)(H,21,25)