S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate; 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea

Systemtic Name: S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate; 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea Openeye Name: S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate; 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea CAS Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea; N,N-diethylcarbamothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate; 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea Traditional Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea; N,N-diethylthiocarbamic acid S-(4-chlorobenzyl) ester Formula: C21H26Cl3N3O3S MolecularWeight: 506.87344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl.CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

Isomeric SMILES

CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl.CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

InChI

InChI=1S/C12H16ClNOS.C9H10Cl2N2O2/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10;1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h5-8H,3-4,9H2,1-2H3;3-5H,1-2H3,(H,12,14)