methyl N-(4-nitrophenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(4-nitrophenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 2-methyl-1-(4-nitrophenyl)-3-(1-phenylethyl)isothiourea CAS Name: N-(4-nitrophenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-nitrophenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 2-methyl-1-(4-nitrophenyl)-3-(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(NC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-12(13-6-4-3-5-7-13)17-16(22-2)18-14-8-10-15(11-9-14)19(20)21/h3-12H,1-2H3,(H,17,18)