S-propan-2-yl N-[4-[[4-(propan-2-ylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate

Systemtic Name: S-propan-2-yl N-[4-[[4-(propan-2-ylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Openeye Name: S-isopropyl N-[4-[[4-(isopropylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate CAS Name: N-[4-[[4-[[oxo-(propan-2-ylthio)methyl]amino]phenyl]methyl]phenyl]carbamothioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl N-[4-[[4-(propan-2-ylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamothioate Traditional Name: N-[4-[4-[(isopropylthio)carbonylamino]benzyl]phenyl]thiocarbamic acid S-isopropyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SC(C)C

Isomeric SMILES

CC(C)SC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)SC(C)C

InChI

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