1-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-[(2-pentylsulfanylpyridine-3-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-[(2-pentylsulfanylpyridine-3-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H28N4O4S2/c1-5-6-7-11-31-20-15(9-8-10-22-20)19(26)24-25-21(30)23-14-12-16(27-2)18(29-4)17(13-14)28-3/h8-10,12-13H,5-7,11H2,1-4H3,(H,24,26)(H2,23,25,30)