4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-prop-2-enyl-piperidine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-prop-2-enyl-piperidine-1-carbothioamide Openeye Name: N-allyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-N-prop-2-enyl-1-piperidinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-prop-2-enylpiperidine-1-carbothioamide Traditional Name: N-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidine-1-carbothioamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O3S/c1-2-7-19-18(24)20-8-5-13(6-9-20)17(21)14-3-4-15-16(12-14)23-11-10-22-15/h2-4,12-13H,1,5-11H2,(H,19,24)