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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(3,5-dimethylphenyl)thiourea Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3OS2/c1-13-8-14(2)10-16(9-13)19-18(23)21-20-17(22)12-24-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,21,23)