(3S)-5-[(4-methylsulfanylphenyl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3S)-5-[(4-methylsulfanylphenyl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3S)-5-[(4-methylsulfanylphenyl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3S)-5-[[4-(methylthio)phenyl]methyl]-3-[3-(methylthio)propylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3S)-5-[(4-methylsulfanylphenyl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3S)-4-keto-5-[4-(methylthio)benzyl]-3-[3-(methylthio)propylamino]-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C22H27N3O2S3 MolecularWeight: 461.66368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CSCCCN[C@@H]1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H27N3O2S3/c1-28-11-3-10-24-18-14-30-20-9-6-16(21(23)26)12-19(20)25(22(18)27)13-15-4-7-17(29-2)8-5-15/h4-9,12,18,24H,3,10-11,13-14H2,1-2H3,(H2,23,26)/t18-/m1/s1