naphthalen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate

Systemtic Name: naphthalen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-2-(2-naphthyl)-1-(3-phenylpropyl)isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-2-(2-naphthyl)-1-(3-phenylpropyl)isothiourea Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)O)C(=N)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)O)C(=N)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H26N2OS/c28-27(31-26-17-14-23-10-4-5-11-24(23)19-26)29(20-22-12-15-25(30)16-13-22)18-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-17,19,28,30H,6,9,18,20H2