(4-nitrophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-(4-nitrobenzyl)isothiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-11-3-4-12(2)15(9-11)18-16(17)22-10-13-5-7-14(8-6-13)19(20)21/h3-9H,10H2,1-2H3,(H2,17,18)