1-(4-butan-2-ylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]thiourea Openeye Name: 1-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloro-3-pyridazinyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C21H22ClN5O2S2 MolecularWeight: 476.01468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S2/c1-3-14(2)15-4-6-16(7-5-15)23-21(30)24-17-8-10-18(11-9-17)31(28,29)27-20-13-12-19(22)25-26-20/h4-14H,3H2,1-2H3,(H,26,27)(H2,23,24,30)