N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4S2/c1-2-15-3-6-17(7-4-15)29(24,25)23-11-9-22(10-12-23)20(28)21-16-5-8-18-19(13-16)27-14-26-18/h3-8,13H,2,9-12,14H2,1H3,(H,21,28)