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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea Traditional Name: 1-benzyl-3-[2-(2-thienyl)-2-tosyl-ethyl]urea Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-16-9-11-18(12-10-16)28(25,26)20(19-8-5-13-27-19)15-23-21(24)22-14-17-6-3-2-4-7-17/h2-13,20H,14-15H2,1H3,(H2,22,23,24)