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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21N3O4S2/c1-2-5-17-16(24)18-6-8-19(9-7-18)25(20,21)13-3-4-14-15(12-13)23-11-10-22-14/h2-4,12H,1,5-11H2,(H,17,24)