(4-nitrophenyl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(4-nitrophenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-(4-nitrobenzyl)-3-phenethyl-isothiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c17-16(18-11-10-13-4-2-1-3-5-13)22-12-14-6-8-15(9-7-14)19(20)21/h1-9H,10-12H2,(H2,17,18)