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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C24H25ClN4O5S2 MolecularWeight: 549.0621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O5S2/c1-33-18-6-3-15(13-19(18)34-2)7-8-26-24(35)28-11-9-27(10-12-28)23(30)22-21(25)17-5-4-16(29(31)32)14-20(17)36-22/h3-6,13-14H,7-12H2,1-2H3,(H,26,35)