1-(4-butylphenyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-(phenylsulfonyl)propanoylamino]thiourea Openeye Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-(4-butylphenyl)thiourea Traditional Name: 1-(3-besylpropanoylamino)-3-(4-butylphenyl)thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3S2/c1-2-3-7-16-10-12-17(13-11-16)21-20(27)23-22-19(24)14-15-28(25,26)18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,24)(H2,21,23,27)