1-[[4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-methoxy-3-(3-pyridylmethylsulfamoyl)benzoyl]amino]thiourea CAS Name: 1-[[[4-methoxy-3-(3-pyridinylmethylsulfamoyl)phenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-methoxy-3-(3-pyridylmethylsulfamoyl)benzoyl]amino]thiourea Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=CC=C2)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=CC=C2)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H23N5O4S2/c1-31-19-10-9-18(12-20(19)33(29,30)25-15-17-8-5-11-23-13-17)21(28)26-27-22(32)24-14-16-6-3-2-4-7-16/h2-13,25H,14-15H2,1H3,(H,26,28)(H2,24,27,32)