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

Systemtic Name: N-prop-2-enyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-allyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-prop-2-enyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-prop-2-enyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-allyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C13H16N2S2 MolecularWeight: 264.40954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2S2/c1-2-8-14-13(16)15-9-5-10-17-12-7-4-3-6-11(12)15/h2-4,6-7H,1,5,8-10H2,(H,14,16)