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

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-15-3-5-16(6-4-15)7-9-18(24)21-11-13-22(14-12-21)20(25)17-8-10-19(28-17)23(26)27/h3-6,8,10H,2,7,9,11-14H2,1H3