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

Systemtic Name: N-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-isopropyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-isopropyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C13H18N2S2 MolecularWeight: 266.42542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CC(C)NC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C13H18N2S2/c1-10(2)14-13(16)15-8-5-9-17-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,16)