3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H21N3O2S2/c24-18(21-11-13-27-14-15-6-2-1-3-7-15)10-12-23-19(25)16-8-4-5-9-17(16)22-20(23)26/h1-9H,10-14H2,(H,21,24)(H,22,26)