S-butyl N-[4-[[4-(butylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate

Systemtic Name: S-butyl N-[4-[[4-(butylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Openeye Name: S-butyl N-[4-[[4-(butylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate CAS Name: N-[4-[[4-[[(butylthio)-oxomethyl]amino]phenyl]methyl]phenyl]carbamothioic acid S-butyl ester IUPAC Name: S-butyl N-[4-[[4-(butylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Traditional Name: N-[4-[4-[(butylthio)carbonylamino]benzyl]phenyl]thiocarbamic acid S-butyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SCCCC

Isomeric SMILES

CCCCSC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SCCCC

InChI

InChI=1S/C23H30N2O2S2/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h7-14H,3-6,15-17H2,1-2H3,(H,24,26)(H,25,27)