3-(2-chlorophenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-chlorophenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-chlorophenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2-chlorophenyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-chlorophenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2-chlorophenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=CC=C2Cl)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=CC=C2Cl)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c19-14-4-2-1-3-13(14)5-7-16(23)20-9-11-21(12-10-20)18(24)15-6-8-17(27-15)22(25)26/h1-4,6,8H,5,7,9-12H2