1-(4-ethylsulfanylsulfonylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-(4-ethylsulfanylsulfonylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-(4-ethylsulfanylsulfonylphenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[4-(ethylthio)sulfonylphenyl]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-(4-ethylsulfanylsulfonylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[4-(ethylthio)sulfonylphenyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

Isomeric SMILES

CCSS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

InChI

InChI=1S/C21H26N2O3S2/c1-6-27-28(25,26)19-12-10-18(11-13-19)22-20(24)23-21(4,5)17-9-7-8-16(14-17)15(2)3/h7-14H,2,6H2,1,3-5H3,(H2,22,23,24)