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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C20H21NOS3 MolecularWeight: 387.58184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H21NOS3/c1-14-10-11-21(17-4-2-3-5-18(17)25-14)19(22)15-6-8-16(9-7-15)20-23-12-13-24-20/h2-9,14,20H,10-13H2,1H3