(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H18N4OS/c1-3-9(2)16-14(15)20-8-12-17-11-7-5-4-6-10(11)13(19)18-12/h4-7,9H,3,8H2,1-2H3,(H2,15,16)(H,17,18,19)/t9-/m0/s1