N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-piperonyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O2S2/c23-18(19-11-13-6-7-15-16(10-13)22-12-21-15)20-8-3-9-24-17-5-2-1-4-14(17)20/h1-2,4-7,10H,3,8-9,11-12H2,(H,19,23)