1-(2-ethyl-6-methyl-phenyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea Openeye Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(3-besylpropanoylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C19H23N3O3S2/c1-3-15-9-7-8-14(2)18(15)20-19(26)22-21-17(23)12-13-27(24,25)16-10-5-4-6-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H2,20,22,26)