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

Systemtic Name: 4-oxidanylidene-3-phenethyl-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenethyl-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C26H25N3O2S2/c30-24(27-14-16-33-18-20-9-5-2-6-10-20)21-11-12-22-23(17-21)28-26(32)29(25(22)31)15-13-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,27,30)(H,28,32)