1-benzothiophen-2-yl N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate

Systemtic Name: 1-benzothiophen-2-yl N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Openeye Name: 2-(benzothiophen-2-yl)-1-(2,2-dimethylpropyl)-1-[(4-hydroxyphenyl)methyl]isothiourea CAS Name: N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 2-(benzothiophen-2-yl)-1-(4-hydroxybenzyl)-1-neopentyl-isothiourea Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)O)C(=N)SC2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)O)C(=N)SC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2OS2/c1-21(2,3)14-23(13-15-8-10-17(24)11-9-15)20(22)26-19-12-16-6-4-5-7-18(16)25-19/h4-12,22,24H,13-14H2,1-3H3