1-(4-butylphenyl)-3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(methylsulfonylmethyl)benzoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(methylsulfonylmethyl)benzoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[4-(mesylmethyl)benzoyl]amino]thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-3-4-5-15-8-12-18(13-9-15)21-20(27)23-22-19(24)17-10-6-16(7-11-17)14-28(2,25)26/h6-13H,3-5,14H2,1-2H3,(H,22,24)(H2,21,23,27)