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

Systemtic Name: (4-tert-butylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C20H24N2O2S/c1-20(2,3)15-6-4-14(5-7-15)13-25-19(21)22-16-8-9-17-18(12-16)24-11-10-23-17/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22)