3,6-dimethyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3,6-dimethyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3,6-dimethyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3,6-dimethyl-2-[[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3,6-dimethyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(C=C(C=C4)C)C(=O)N3C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(C=C(C=C4)C)C(=O)N3C

InChI

InChI=1S/C22H23N3O2S2/c1-14-8-9-17-16(12-14)21(27)24(3)22(23-17)28-13-20(26)25-11-10-15(2)29-19-7-5-4-6-18(19)25/h4-9,12,15H,10-11,13H2,1-3H3