(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]valeronitrile Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C24H22N4O3S2/c1-14(13-31-3)28-23(30)16-8-4-5-9-18(16)27-24(28)32-15(2)21(29)17(12-25)22-26-19-10-6-7-11-20(19)33-22/h4-11,14-15,26H,13H2,1-3H3/b22-17+