methyl N'-[2-[(4-methylphenyl)-phenyl-methyl]sulfanylethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-[(4-methylphenyl)-phenyl-methyl]sulfanylethyl]carbamimidothioate Openeye Name: 2-methyl-3-[2-[phenyl(p-tolyl)methyl]sulfanylethyl]isothiourea CAS Name: N'-[2-[[(4-methylphenyl)-phenylmethyl]thio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[(4-methylphenyl)-phenylmethyl]sulfanylethyl]carbamimidothioate Traditional Name: 2-methyl-3-[2-[[phenyl(p-tolyl)methyl]thio]ethyl]isothiourea Formula: C18H22N2S2 MolecularWeight: 330.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN=C(N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN=C(N)SC

InChI

InChI=1S/C18H22N2S2/c1-14-8-10-16(11-9-14)17(15-6-4-3-5-7-15)22-13-12-20-18(19)21-2/h3-11,17H,12-13H2,1-2H3,(H2,19,20)