N-(2,3-dimethylphenyl)-2-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(5-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(5-nitrobenzothiophene-2-carbonyl)piperazino]acetamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O4S/c1-15-4-3-5-19(16(15)2)24-22(28)14-25-8-10-26(11-9-25)23(29)21-13-17-12-18(27(30)31)6-7-20(17)32-21/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,28)