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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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