(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(thiazol-4-ylmethylsulfanyl)phenyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-thiazolylmethylthio)phenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(thiazol-4-ylmethylthio)phenyl]methanone Formula: C21H20N2OS3 MolecularWeight: 412.5913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C21H20N2OS3/c1-15-10-11-23(19-4-2-3-5-20(19)27-15)21(24)16-6-8-18(9-7-16)26-13-17-12-25-14-22-17/h2-9,12,14-15H,10-11,13H2,1H3