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

Systemtic Name: 1-[3,5-bis(chloranyl)-4-(4-nitrophenyl)sulfanyl-phenyl]-3-propyl-urea Openeye Name: 1-[3,5-dichloro-4-(4-nitrophenyl)sulfanyl-phenyl]-3-propyl-urea CAS Name: 1-[3,5-dichloro-4-[(4-nitrophenyl)thio]phenyl]-3-propylurea IUPAC Name: 1-[3,5-dichloro-4-(4-nitrophenyl)sulfanylphenyl]-3-propylurea Traditional Name: 1-[3,5-dichloro-4-[(4-nitrophenyl)thio]phenyl]-3-propyl-urea Formula: C16H15Cl2N3O3S MolecularWeight: 400.2796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N3O3S/c1-2-7-19-16(22)20-10-8-13(17)15(14(18)9-10)25-12-5-3-11(4-6-12)21(23)24/h3-6,8-9H,2,7H2,1H3,(H2,19,20,22)