4-[[(2S)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylpropanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]propanoyl]amino]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H22N4O3S/c1-15-7-13-19(14-8-15)29-24(32)20-5-3-4-6-21(20)28-25(29)33-16(2)23(31)27-18-11-9-17(10-12-18)22(26)30/h3-14,16H,1-2H3,(H2,26,30)(H,27,31)/t16-/m0/s1