3-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 3-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 3-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-25-15-7-6-11(10-13(15)19)22-17(24)12-4-2-3-5-14(12)21-18(22)26-9-8-16(20)23/h2-7,10H,8-9H2,1H3,(H2,20,23)