2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(4-propoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(4-propoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-(4-propoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-[(E)-(4-propoxybenzylidene)amino]acetamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

InChI=1S/C27H26N4O3S/c1-3-16-34-21-14-12-20(13-15-21)17-28-30-25(32)18-35-27-29-23-10-6-5-9-22(23)26(33)31(27)24-11-7-4-8-19(24)2/h4-15,17H,3,16,18H2,1-2H3,(H,30,32)/b28-17+