1-(3-methoxyphenyl)-3-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[[4-(propargylsulfamoyl)benzoyl]amino]thiourea Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H18N4O4S2/c1-3-11-19-28(24,25)16-9-7-13(8-10-16)17(23)21-22-18(27)20-14-5-4-6-15(12-14)26-2/h1,4-10,12,19H,11H2,2H3,(H,21,23)(H2,20,22,27)