S-[(4-chlorophenyl)methyl] N-[1-(diethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioate

Systemtic Name: S-[(4-chlorophenyl)methyl] N-[1-(diethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioate Openeye Name: S-[(4-chlorophenyl)methyl] N-[1-benzyl-2-(diethylamino)-2-oxo-ethyl]carbamothioate CAS Name: N-[1-(diethylamino)-1-oxo-3-phenylpropan-2-yl]carbamothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] N-[1-(diethylamino)-1-oxo-3-phenylpropan-2-yl]carbamothioate Traditional Name: N-[1-benzyl-2-(diethylamino)-2-keto-ethyl]thiocarbamic acid S-(4-chlorobenzyl) ester Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-24(4-2)20(25)19(14-16-8-6-5-7-9-16)23-21(26)27-15-17-10-12-18(22)13-11-17/h5-13,19H,3-4,14-15H2,1-2H3,(H,23,26)