1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N3OS2/c1-14-10-11-23(17-8-4-5-9-18(17)26-14)19(24)12-25-20-15-6-2-3-7-16(15)21-13-22-20/h2-9,13-14H,10-12H2,1H3/t14-/m0/s1