1-(4-butyl-2-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-(4-mesylbenzyl)thiourea Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H26N2O2S2/c1-4-5-6-16-9-12-19(15(2)13-16)22-20(25)21-14-17-7-10-18(11-8-17)26(3,23)24/h7-13H,4-6,14H2,1-3H3,(H2,21,22,25)