1-(3,5-dimethylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(3,5-dimethylphenyl)thiourea Formula: C18H22N2S2 MolecularWeight: 330.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCSCC2=CC=CC=C2)C

InChI

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