(4-tert-butylphenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(2-furylmethyl)isothiourea CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-(2-furfuryl)isothiourea Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=NCC2=CC=CO2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=NCC2=CC=CO2)N

InChI

InChI=1S/C17H22N2OS/c1-17(2,3)14-8-6-13(7-9-14)12-21-16(18)19-11-15-5-4-10-20-15/h4-10H,11-12H2,1-3H3,(H2,18,19)