1-[(4-chlorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(4-chlorobenzyl)-3-[2-(2-thienyl)-2-tosyl-ethyl]urea Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C21H21ClN2O3S2/c1-15-4-10-18(11-5-15)29(26,27)20(19-3-2-12-28-19)14-24-21(25)23-13-16-6-8-17(22)9-7-16/h2-12,20H,13-14H2,1H3,(H2,23,24,25)