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

Systemtic Name: 2-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C23H19ClN4O3S2 MolecularWeight: 499.00496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C23H19ClN4O3S2/c1-12-16(24)7-5-9-18(12)28-22(31)14-6-3-4-8-17(14)26-23(28)33-13(2)20(30)27-21-15(19(25)29)10-11-32-21/h3-11,13H,1-2H3,(H2,25,29)(H,27,30)