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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C22H21ClN4O5S2 MolecularWeight: 521.00894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O5S2/c1-31-14-4-6-17(32-2)16(12-14)24-22(33)26-9-7-25(8-10-26)21(28)20-19(23)15-5-3-13(27(29)30)11-18(15)34-20/h3-6,11-12H,7-10H2,1-2H3,(H,24,33)