(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-phenethyl-isothiourea Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CCN=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4OS/c19-18(20-11-10-13-6-2-1-3-7-13)24-12-16-21-15-9-5-4-8-14(15)17(23)22-16/h1-9H,10-12H2,(H2,19,20)(H,21,22,23)