(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C15H20N4OS/c1-10(2)7-8-17-15(16)21-9-13-18-12-6-4-3-5-11(12)14(20)19-13/h3-6,10H,7-9H2,1-2H3,(H2,16,17)(H,18,19,20)