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1-hexyl-3-[4-(hexylcarbamothioylamino)-2-methyl-phenyl]thiourea

1-hexyl-3-[4-(hexylcarbamothioylamino)-2-methyl-phenyl]thiourea

Systemtic Name:1-hexyl-3-[4-(hexylcarbamothioylamino)-2-methyl-phenyl]thiourea
Openeye Name:1-hexyl-3-[4-(hexylcarbamothioylamino)-2-methyl-phenyl]thiourea
CAS Name:1-hexyl-3-[4-[[(hexylamino)-sulfanylidenemethyl]amino]-2-methylphenyl]thiourea
IUPAC Name:1-hexyl-3-[4-(hexylcarbamothioylamino)-2-methylphenyl]thiourea
Traditional Name:1-hexyl-3-[4-(hexylthiocarbamoylamino)-2-methyl-phenyl]thiourea
Formula: C21H36N4S2
MolecularWeight: 408.66734
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCCCC)C


Isomeric SMILES

CCCCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCCCC)C


InChI

InChI=1S/C21H36N4S2/c1-4-6-8-10-14-22-20(26)24-18-12-13-19(17(3)16-18)25-21(27)23-15-11-9-7-5-2/h12-13,16H,4-11,14-15H2,1-3H3,(H2,22,24,26)(H2,23,25,27)


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