1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]urea

Systemtic Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]urea Openeye Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]urea CAS Name: 1-butyl-3-[4-[(4-nitrophenyl)thio]phenyl]urea IUPAC Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]urea Traditional Name: 1-butyl-3-[4-[(4-nitrophenyl)thio]phenyl]urea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-2-3-12-18-17(21)19-13-4-8-15(9-5-13)24-16-10-6-14(7-11-16)20(22)23/h4-11H,2-3,12H2,1H3,(H2,18,19,21)