1-(4-chlorophenyl)-1-(3,3-dimethoxypropanoylamino)thiourea

Systemtic Name: 1-(4-chlorophenyl)-1-(3,3-dimethoxypropanoylamino)thiourea Openeye Name: 1-(4-chlorophenyl)-1-(3,3-dimethoxypropanoylamino)thiourea CAS Name: 1-(4-chlorophenyl)-1-[(3,3-dimethoxy-1-oxopropyl)amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-1-(3,3-dimethoxypropanoylamino)thiourea Traditional Name: 1-(4-chlorophenyl)-1-(3,3-dimethoxypropanoylamino)thiourea Formula: C12H16ClN3O3S MolecularWeight: 317.79174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=O)NN(C1=CC=C(C=C1)Cl)C(=S)N)OC

Isomeric SMILES

COC(CC(=O)NN(C1=CC=C(C=C1)Cl)C(=S)N)OC

InChI

InChI=1S/C12H16ClN3O3S/c1-18-11(19-2)7-10(17)15-16(12(14)20)9-5-3-8(13)4-6-9/h3-6,11H,7H2,1-2H3,(H2,14,20)(H,15,17)