1-[3,5-bis(chloranyl)-4-(2-chloranyl-4-nitro-phenyl)sulfanyl-phenyl]-3-propyl-urea

Systemtic Name: 1-[3,5-bis(chloranyl)-4-(2-chloranyl-4-nitro-phenyl)sulfanyl-phenyl]-3-propyl-urea Openeye Name: 1-[3,5-dichloro-4-(2-chloro-4-nitro-phenyl)sulfanyl-phenyl]-3-propyl-urea CAS Name: 1-[3,5-dichloro-4-[(2-chloro-4-nitrophenyl)thio]phenyl]-3-propylurea IUPAC Name: 1-[3,5-dichloro-4-(2-chloro-4-nitrophenyl)sulfanylphenyl]-3-propylurea Traditional Name: 1-[3,5-dichloro-4-[(2-chloro-4-nitro-phenyl)thio]phenyl]-3-propyl-urea Formula: C16H14Cl3N3O3S MolecularWeight: 434.72466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC(=C(C(=C1)Cl)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCCNC(=O)NC1=CC(=C(C(=C1)Cl)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl

InChI

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