1-(3-chloranyl-4-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-chloro-4-methoxyphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H16ClN5O3S2 MolecularWeight: 449.93434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl

InChI

InChI=1S/C18H16ClN5O3S2/c1-27-16-8-5-13(11-15(16)19)23-18(28)22-12-3-6-14(7-4-12)29(25,26)24-17-20-9-2-10-21-17/h2-11H,1H3,(H,20,21,24)(H2,22,23,28)