(4-nitrophenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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