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

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S2/c25-19(22-12-14-28-15-16-7-2-1-3-8-16)11-6-13-24-20(26)17-9-4-5-10-18(17)23-21(24)27/h1-5,7-10H,6,11-15H2,(H,22,25)(H,23,27)