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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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