(4-cyanophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17N3S/c1-13(16-5-3-2-4-6-16)20-17(19)21-12-15-9-7-14(11-18)8-10-15/h2-10,13H,12H2,1H3,(H2,19,20)/t13-/m1/s1