S-hexyl N-[3-(hexylsulfanylcarbonylamino)-4-methyl-phenyl]carbamothioate

Systemtic Name: S-hexyl N-[3-(hexylsulfanylcarbonylamino)-4-methyl-phenyl]carbamothioate Openeye Name: S-hexyl N-[3-(hexylsulfanylcarbonylamino)-4-methyl-phenyl]carbamothioate CAS Name: N-[3-[[(hexylthio)-oxomethyl]amino]-4-methylphenyl]carbamothioic acid S-hexyl ester IUPAC Name: S-hexyl N-[3-(hexylsulfanylcarbonylamino)-4-methylphenyl]carbamothioate Traditional Name: N-[3-[(hexylthio)carbonylamino]-4-methyl-phenyl]thiocarbamic acid S-hexyl ester Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)NC1=CC(=C(C=C1)C)NC(=O)SCCCCCC

Isomeric SMILES

CCCCCCSC(=O)NC1=CC(=C(C=C1)C)NC(=O)SCCCCCC

InChI

InChI=1S/C21H34N2O2S2/c1-4-6-8-10-14-26-20(24)22-18-13-12-17(3)19(16-18)23-21(25)27-15-11-9-7-5-2/h12-13,16H,4-11,14-15H2,1-3H3,(H,22,24)(H,23,25)