(4-phenylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: (4-phenylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenylphenyl)methyl]isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylbenzyl)isothiourea Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c23-22(24-19-10-11-20-21(14-19)26-13-12-25-20)27-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,14H,12-13,15H2,(H2,23,24)