1-(4-butylphenyl)-3-(3-phenylsulfanylpropanoylamino)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(3-phenylsulfanylpropanoylamino)thiourea Openeye Name: 1-(4-butylphenyl)-3-(3-phenylsulfanylpropanoylamino)thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-3-(phenylthio)propyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(3-phenylsulfanylpropanoylamino)thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(phenylthio)propanoylamino]thiourea Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H25N3OS2/c1-2-3-7-16-10-12-17(13-11-16)21-20(25)23-22-19(24)14-15-26-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,24)(H2,21,23,25)