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

Systemtic Name: naphthalen-2-yl N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Openeye Name: 1-(2,2-dimethylpropyl)-1-[(4-hydroxyphenyl)methyl]-2-(2-naphthyl)isothiourea CAS Name: N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-2-(2-naphthyl)-1-neopentyl-isothiourea Formula: C23H26N2OS MolecularWeight: 378.53034

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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=C3C=C2

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)O)C(=N)SC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H26N2OS/c1-23(2,3)16-25(15-17-8-11-20(26)12-9-17)22(24)27-21-13-10-18-6-4-5-7-19(18)14-21/h4-14,24,26H,15-16H2,1-3H3