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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-isopropyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-isopropyl-piperazine-1-carbothioamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H23N3O4S2/c1-12(2)17-16(24)18-5-7-19(8-6-18)25(20,21)13-3-4-14-15(11-13)23-10-9-22-14/h3-4,11-12H,5-10H2,1-2H3,(H,17,24)