3-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[3-(3,5-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=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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