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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-12(13-7-3-2-4-8-13)20-18(19)24-11-16-21-15-10-6-5-9-14(15)17(23)22-16/h2-10,12H,11H2,1H3,(H2,19,20)(H,21,22,23)/t12-/m1/s1