2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]acetamide Formula: C25H22N6O2S2 MolecularWeight: 502.61118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N6O2S2/c1-15-12-18(13-26-29-23(32)14-34-25-28-21-10-6-7-11-22(21)35-25)16(2)30(15)31-17(3)27-20-9-5-4-8-19(20)24(31)33/h4-13H,14H2,1-3H3,(H,29,32)