N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-piperonyl-piperazine-1-carbothioamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O4S2/c23-28(24,16-4-2-1-3-5-16)22-10-8-21(9-11-22)19(27)20-13-15-6-7-17-18(12-15)26-14-25-17/h1-7,12H,8-11,13-14H2,(H,20,27)