(4-nitrophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 3-(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 3-(4-methoxyphenyl)-2-(4-nitrobenzyl)isothiourea Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S/c1-21-14-8-4-12(5-9-14)17-15(16)22-10-11-2-6-13(7-3-11)18(19)20/h2-9H,10H2,1H3,(H2,16,17)