(2R)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide CAS Name: (2R)-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: (2R)-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-propionamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-12(18(25)22-14-8-9-14)27-20-23-17-5-3-2-4-16(17)19(26)24(20)15-10-6-13(21)7-11-15/h2-7,10-12,14H,8-9H2,1H3,(H,22,25)/t12-/m1/s1