1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea

Systemtic Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea Openeye Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea CAS Name: 1-[4-[(2,6-dimethyl-4-nitrophenyl)thio]phenyl]-3-propylurea IUPAC Name: 1-[4-(2,6-dimethyl-4-nitrophenyl)sulfanylphenyl]-3-propylurea Traditional Name: 1-[4-[(2,6-dimethyl-4-nitro-phenyl)thio]phenyl]-3-propyl-urea Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2C)[N+](=O)[O-])C

Isomeric SMILES

CCCNC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2C)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O3S/c1-4-9-19-18(22)20-14-5-7-16(8-6-14)25-17-12(2)10-15(21(23)24)11-13(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20,22)