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

Systemtic Name: 1-(2-methylphenyl)-3-[[3-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-[3-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea Traditional Name: 1-(o-tolyl)-3-[[3-(propargylsulfamoyl)benzoyl]amino]thiourea Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H18N4O3S2/c1-3-11-19-27(24,25)15-9-6-8-14(12-15)17(23)21-22-18(26)20-16-10-5-4-7-13(16)2/h1,4-10,12,19H,11H2,2H3,(H,21,23)(H2,20,22,26)