1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(4-morpholinosulfonylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(4-morpholinosulfonylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C20H24N4O5S3 MolecularWeight: 496.62336

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24N4O5S3/c1-2-13-31-16-5-8-19(24(25)26)18(14-16)22-20(30)21-15-3-6-17(7-4-15)32(27,28)23-9-11-29-12-10-23/h3-8,14H,2,9-13H2,1H3,(H2,21,22,30)