N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)hexanamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H22N4O2S2/c1-14-10-11-17-18(13-14)30-21(23-17)25-19(27)9-3-2-6-12-26-20(28)15-7-4-5-8-16(15)24-22(26)29/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,24,29)(H,23,25,27)