1-(5-chloranyl-2-methoxy-phenyl)-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[[2-phenyl-2-(phenylthio)acetyl]amino]thiourea Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O2S2/c1-28-19-13-12-16(23)14-18(19)24-22(29)26-25-21(27)20(15-8-4-2-5-9-15)30-17-10-6-3-7-11-17/h2-14,20H,1H3,(H,25,27)(H2,24,26,29)