4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C22H19ClN4O4S2 MolecularWeight: 502.99366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN4O4S2/c1-13(28)14-3-2-4-15(11-14)24-22(32)26-9-7-25(8-10-26)21(29)20-19(23)17-6-5-16(27(30)31)12-18(17)33-20/h2-6,11-12H,7-10H2,1H3,(H,24,32)