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

Systemtic Name: (4-nitrophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-nitrophenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(4-nitrobenzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-12(14-5-3-2-4-6-14)18-16(17)22-11-13-7-9-15(10-8-13)19(20)21/h2-10,12H,11H2,1H3,(H2,17,18)/t12-/m1/s1