1-[4-[2,6-bis(chloranyl)-4-nitro-phenyl]sulfanyl-3-chloranyl-phenyl]-3-propyl-urea

Systemtic Name: 1-[4-[2,6-bis(chloranyl)-4-nitro-phenyl]sulfanyl-3-chloranyl-phenyl]-3-propyl-urea Openeye Name: 1-[3-chloro-4-(2,6-dichloro-4-nitro-phenyl)sulfanyl-phenyl]-3-propyl-urea CAS Name: 1-[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)thio]phenyl]-3-propylurea IUPAC Name: 1-[3-chloro-4-(2,6-dichloro-4-nitrophenyl)sulfanylphenyl]-3-propylurea Traditional Name: 1-[3-chloro-4-[(2,6-dichloro-4-nitro-phenyl)thio]phenyl]-3-propyl-urea Formula: C16H14Cl3N3O3S MolecularWeight: 434.72466

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC(=C(C=C1)SC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCCNC(=O)NC1=CC(=C(C=C1)SC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H14Cl3N3O3S/c1-2-5-20-16(23)21-9-3-4-14(11(17)6-9)26-15-12(18)7-10(22(24)25)8-13(15)19/h3-4,6-8H,2,5H2,1H3,(H2,20,21,23)