4-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H21ClN4O3S/c1-14-19(26)7-5-9-21(14)30-24(33)18-6-3-4-8-20(18)29-25(30)34-15(2)23(32)28-17-12-10-16(11-13-17)22(27)31/h3-13,15H,1-2H3,(H2,27,31)(H,28,32)