1-[[4-chloranyl-3-(furan-2-ylmethylsulfamoyl)phenyl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[[4-chloranyl-3-(furan-2-ylmethylsulfamoyl)phenyl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[4-chloro-3-(2-furylmethylsulfamoyl)benzoyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[[4-chloro-3-(2-furanylmethylsulfamoyl)phenyl]-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[4-chloro-3-(2-furfurylsulfamoyl)benzoyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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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)Cl)S(=O)(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H21ClN4O4S2/c1-13-5-7-16(10-14(13)2)24-21(31)26-25-20(27)15-6-8-18(22)19(11-15)32(28,29)23-12-17-4-3-9-30-17/h3-11,23H,12H2,1-2H3,(H,25,27)(H2,24,26,31)