1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]urea Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22ClN3O3S2/c1-25(2)18-11-5-15(6-12-18)19(30(27,28)20-4-3-13-29-20)14-23-21(26)24-17-9-7-16(22)8-10-17/h3-13,19H,14H2,1-2H3,(H2,23,24,26)