3,4-dimethyl-N-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethyl]-3,4-dimethyl-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O5S/c1-13-3-4-15(11-14(13)2)19(26)21-12-17(25)22-7-9-23(10-8-22)20(27)16-5-6-18(30-16)24(28)29/h3-6,11H,7-10,12H2,1-2H3,(H,21,26)