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

Systemtic Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-[3-(methylthio)propyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C14H20N2S3 MolecularWeight: 312.517

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CSCCCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C14H20N2S3/c1-18-10-4-8-15-14(17)16-9-5-11-19-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)