1-(4-butylphenyl)-3-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-methyl-5-methylsulfonyl-benzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-methyl-5-methylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(5-mesyl-2-methyl-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=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-4-5-6-15-8-10-16(11-9-15)21-20(27)23-22-19(24)18-13-17(28(3,25)26)12-7-14(18)2/h7-13H,4-6H2,1-3H3,(H,22,24)(H2,21,23,27)