4-oxidanylidene-3-(phenylmethyl)-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(2-benzylsulfanylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(2-benzylsulfanylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[2-(benzylthio)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C25H23N3O2S2/c29-23(26-13-14-32-17-19-9-5-2-6-10-19)20-11-12-21-22(15-20)27-25(31)28(24(21)30)16-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2,(H,26,29)(H,27,31)