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

Systemtic Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Openeye Name: 2-(benzothiophen-2-yl)-1-[(4-hydroxyphenyl)methyl]-1-(3-phenylpropyl)isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Traditional Name: 2-(benzothiophen-2-yl)-1-(4-hydroxybenzyl)-1-(3-phenylpropyl)isothiourea Formula: C25H24N2OS2 MolecularWeight: 432.60086

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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=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)O)C(=N)SC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N2OS2/c26-25(30-24-17-21-10-4-5-11-23(21)29-24)27(18-20-12-14-22(28)15-13-20)16-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-15,17,26,28H,6,9,16,18H2