3-[2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]anilino)propionamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3S/c1-18-9-8-14-23(19(18)2)31-26(34)21-12-6-7-13-22(21)29-27(31)35-17-25(33)30(16-15-24(28)32)20-10-4-3-5-11-20/h3-14H,15-17H2,1-2H3,(H2,28,32)