1-(2,4-dimethoxyphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-(2,4-dimethoxyphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(2,4-dimethoxyphenyl)thiourea CAS Name: 1-(2,4-dimethoxyphenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(2,4-dimethoxyphenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(2,4-dimethoxyphenyl)thiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H21N3O3S2/c1-23-14-8-9-15(16(10-14)24-2)19-18(25)21-20-17(22)12-26-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,21,25)