1-[2-(phenylmethylsulfanyl)propanoylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[2-(phenylmethylsulfanyl)propanoylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-(2-benzylsulfanylpropanoylamino)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-[[1-oxo-2-(phenylmethylthio)propyl]amino]urea IUPAC Name: 1-(2-benzylsulfanylpropanoylamino)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[2-(benzylthio)propanoylamino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NNC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O2S/c1-16(2)19-12-9-13-20(14-19)23(4,5)24-22(28)26-25-21(27)17(3)29-15-18-10-7-6-8-11-18/h6-14,17H,1,15H2,2-5H3,(H,25,27)(H2,24,26,28)