N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C)C

InChI

InChI=1S/C26H25N5O3S/c1-15-9-10-20(17(3)13-15)28-25(34)30-23(32)18(4)35-26-29-21-8-6-5-7-19(21)24(33)31(26)22-14-16(2)11-12-27-22/h5-14,18H,1-4H3,(H2,28,30,32,34)