(5-ethanoyl-2-methoxy-phenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C21H26N2O2S/c1-5-14(2)16-6-9-19(10-7-16)23-21(22)26-13-18-12-17(15(3)24)8-11-20(18)25-4/h6-12,14H,5,13H2,1-4H3,(H2,22,23)/t14-/m0/s1