N-(2,6-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]butyramide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC

InChI

InChI=1S/C27H27N3O3S/c1-18-10-8-11-19(2)25(18)29-24(31)16-9-17-34-27-28-21-13-5-4-12-20(21)26(32)30(27)22-14-6-7-15-23(22)33-3/h4-8,10-15H,9,16-17H2,1-3H3,(H,29,31)