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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 3-[4-[(1S)-1-methylpropyl]phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H22N4OS/c1-3-13(2)14-8-10-15(11-9-14)22-20(21)26-12-18-23-17-7-5-4-6-16(17)19(25)24-18/h4-11,13H,3,12H2,1-2H3,(H2,21,22)(H,23,24,25)/t13-/m0/s1