4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H21ClN4O3S2/c1-13-9-14(2)11-15(10-13)24-22(31)26-7-5-25(6-8-26)21(28)20-19(23)17-4-3-16(27(29)30)12-18(17)32-20/h3-4,9-12H,5-8H2,1-2H3,(H,24,31)