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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-11(12-5-3-2-4-6-12)21-18(20)25-10-16-22-15-9-13(19)7-8-14(15)17(24)23-16/h2-9,11H,10H2,1H3,(H2,20,21)(H,22,23,24)/t11-/m1/s1