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

Systemtic Name: 1-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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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)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S2/c1-27-15-5-2-4-14(12-15)21-18(28)23-22-17(24)13-6-8-16(9-7-13)29(25,26)20-11-3-10-19/h2,4-9,12,20H,3,11H2,1H3,(H,22,24)(H2,21,23,28)