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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N,N'-diethylcarbamimidothioate Openeye Name: 1,3-diethyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N,N'-diethylcarbamimidothioate Traditional Name: 1,3-diethyl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCNC(=NCC)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H18N4OS/c1-3-15-14(16-4-2)20-9-12-17-11-8-6-5-7-10(11)13(19)18-12/h5-8H,3-4,9H2,1-2H3,(H,15,16)(H,17,18,19)