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

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-isopropylphenyl)methyl]isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-isopropylbenzyl)isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-13(2)15-5-3-14(4-6-15)12-24-19(20)21-16-7-8-17-18(11-16)23-10-9-22-17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,21)