1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S2/c1-23-15-8-7-13(18)9-14(15)19-17(24)21-20-16(22)11-25-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,24)