3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O2S/c1-15-10-13-24(18-8-4-5-9-19(18)27-15)20(25)11-12-23-14-22-17-7-3-2-6-16(17)21(23)26/h2-9,14-15H,10-13H2,1H3