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

Systemtic Name: N-butyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-butyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-butyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-butyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-butyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C14H20N2S2 MolecularWeight: 280.452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CCCCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C14H20N2S2/c1-2-3-9-15-14(17)16-10-6-11-18-13-8-5-4-7-12(13)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,15,17)