4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O4S2/c24-29(25,17-6-7-18-19(14-17)27-13-12-26-18)23-10-8-22(9-11-23)20(28)21-15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,21,28)