2-(3-methylphenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: 2-(3-methylphenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[2-(3-methylphenoxy)ethyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-[2-(3-methylphenoxy)ethyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCCOC2=CC=CC(=C2)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C20H26N2OS/c1-4-16(3)17-8-10-18(11-9-17)22-20(21)24-13-12-23-19-7-5-6-15(2)14-19/h5-11,14,16H,4,12-13H2,1-3H3,(H2,21,22)/t16-/m0/s1