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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C20H18ClN5O5S3 MolecularWeight: 540.03542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18ClN5O5S3/c21-17-15-6-3-13(26(28)29)11-16(15)33-18(17)19(27)24-7-9-25(10-8-24)20(32)23-12-1-4-14(5-2-12)34(22,30)31/h1-6,11H,7-10H2,(H,23,32)(H2,22,30,31)