1-(3,4-dimethylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(3,4-dimethylphenyl)thiourea Formula: C18H22N2S2 MolecularWeight: 330.51068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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