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

Systemtic Name: S-[(4-methoxyphenyl)methyl] N-[1-(diethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioate Openeye Name: S-[(4-methoxyphenyl)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-methoxyphenyl)methyl] ester IUPAC Name: S-[(4-methoxyphenyl)methyl] N-[1-(diethylamino)-1-oxo-3-phenylpropan-2-yl]carbamothioate Traditional Name: N-[1-benzyl-2-(diethylamino)-2-keto-ethyl]thiocarbamic acid S-p-anisyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-4-24(5-2)21(25)20(15-17-9-7-6-8-10-17)23-22(26)28-16-18-11-13-19(27-3)14-12-18/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26)