1-(2-nitro-5-propylsulfanyl-phenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(2-nitro-5-propylsulfanyl-phenyl)urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-[2-nitro-5-(propylthio)phenyl]urea IUPAC Name: 1-(2-nitro-5-propylsulfanylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-[2-nitro-5-(propylthio)phenyl]urea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C

InChI

InChI=1S/C22H27N3O3S/c1-6-12-29-18-10-11-20(25(27)28)19(14-18)23-21(26)24-22(4,5)17-9-7-8-16(13-17)15(2)3/h7-11,13-14H,2,6,12H2,1,3-5H3,(H2,23,24,26)