1-(4-chloranyl-3-nitro-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-(4-chloro-3-nitro-phenyl)thiourea Formula: C18H20ClN5O3S2 MolecularWeight: 453.9661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O3S2/c1-2-3-4-10-29-17-13(6-5-9-20-17)16(25)22-23-18(28)21-12-7-8-14(19)15(11-12)24(26)27/h5-9,11H,2-4,10H2,1H3,(H,22,25)(H2,21,23,28)