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

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-(1,3-dithian-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-(1,3-dithian-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [4-(1,3-dithian-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [4-(1,3-dithian-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H23NOS3 MolecularWeight: 401.60842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H23NOS3/c1-15-11-12-22(18-5-2-3-6-19(18)26-15)20(23)16-7-9-17(10-8-16)21-24-13-4-14-25-21/h2-3,5-10,15,21H,4,11-14H2,1H3