1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-(4-chloro-2,5-dimethoxy-phenyl)thiourea Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C20H25ClN4O3S2/c1-4-5-6-10-30-19-13(8-7-9-22-19)18(26)24-25-20(29)23-15-12-16(27-2)14(21)11-17(15)28-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,24,26)(H2,23,25,29)