(5-ethanoyl-2-methoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-benzyl-isothiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O2S/c1-13(21)15-8-9-17(22-2)16(10-15)12-23-18(19)20-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,19,20)