1-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]urea IUPAC Name: 1-[(2-pentylsulfanylpyridine-3-carbonyl)amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

InChI

InChI=1S/C24H32N4O2S/c1-6-7-8-15-31-22-20(13-10-14-25-22)21(29)27-28-23(30)26-24(4,5)19-12-9-11-18(16-19)17(2)3/h9-14,16H,2,6-8,15H2,1,3-5H3,(H,27,29)(H2,26,28,30)