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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS/c1-9(2)7-16-14(15)20-8-12-17-11-6-4-3-5-10(11)13(19)18-12/h3-6,9H,7-8H2,1-2H3,(H2,15,16)(H,17,18,19)