methyl N-(4-azidophenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate

Systemtic Name: methyl N-(4-azidophenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate Openeye Name: 1-(4-azidophenyl)-2-methyl-3-[(1S)-1-phenylethyl]isothiourea CAS Name: N-(4-azidophenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-azidophenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate Traditional Name: 1-(4-azidophenyl)-2-methyl-3-[(1S)-1-phenylethyl]isothiourea Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)N=[N+]=[N-])SC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)N=[N+]=[N-])SC

InChI

InChI=1S/C16H17N5S/c1-12(13-6-4-3-5-7-13)18-16(22-2)19-14-8-10-15(11-9-14)20-21-17/h3-12H,1-2H3,(H,18,19)/t12-/m0/s1