3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]methanone Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCCSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCCSC4=CC=CC=C43)C

InChI

InChI=1S/C23H23N3OS2/c1-16-14-17(2)25-23(24-16)29-15-18-8-3-4-9-19(18)22(27)26-12-7-13-28-21-11-6-5-10-20(21)26/h3-6,8-11,14H,7,12-13,15H2,1-2H3