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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[4-(propargylsulfamoyl)benzoyl]amino]thiourea Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C19H20N4O3S2/c1-4-11-20-28(25,26)17-9-6-15(7-10-17)18(24)22-23-19(27)21-16-8-5-13(2)14(3)12-16/h1,5-10,12,20H,11H2,2-3H3,(H,22,24)(H2,21,23,27)