1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]thiourea Formula: C18H18ClN5O3S2 MolecularWeight: 451.95022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H18ClN5O3S2/c1-12-15(19)4-2-5-16(12)22-18(28)24-23-17(25)13-6-8-14(9-7-13)29(26,27)21-11-3-10-20/h2,4-9,21H,3,11H2,1H3,(H,23,25)(H2,22,24,28)