N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-ethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C12H16N2S2 MolecularWeight: 252.39884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C12H16N2S2/c1-2-13-12(15)14-8-5-9-16-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,15)