3-tert-butyl-1-[N'-hexyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]-1-methyl-thiourea

Systemtic Name: 3-tert-butyl-1-[N'-hexyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]-1-methyl-thiourea Openeye Name: 3-tert-butyl-1-[N'-hexyl-N-(p-tolylsulfonyl)carbamimidoyl]-1-methyl-thiourea CAS Name: 3-tert-butyl-1-[hexylimino-[(4-methylphenyl)sulfonylamino]methyl]-1-methylthiourea IUPAC Name: 3-tert-butyl-1-[N'-hexyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]-1-methylthiourea Traditional Name: 3-tert-butyl-1-(N'-hexyl-N-tosyl-amidino)-1-methyl-thiourea Formula: C20H34N4O2S2 MolecularWeight: 426.63956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)C)N(C)C(=S)NC(C)(C)C

Isomeric SMILES

CCCCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)C)N(C)C(=S)NC(C)(C)C

InChI

InChI=1S/C20H34N4O2S2/c1-7-8-9-10-15-21-18(24(6)19(27)22-20(3,4)5)23-28(25,26)17-13-11-16(2)12-14-17/h11-14H,7-10,15H2,1-6H3,(H,21,23)(H,22,27)