S-propyl N-[4-[[4-(propylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate

Systemtic Name: S-propyl N-[4-[[4-(propylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Openeye Name: S-propyl N-[4-[[4-(propylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate CAS Name: N-[4-[[4-[[oxo-(propylthio)methyl]amino]phenyl]methyl]phenyl]carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-[4-[[4-(propylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Traditional Name: N-[4-[4-[(propylthio)carbonylamino]benzyl]phenyl]thiocarbamic acid S-propyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SCCC

Isomeric SMILES

CCCSC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SCCC

InChI

InChI=1S/C21H26N2O2S2/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)