N-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]ethyl]ethanamide

Systemtic Name: N-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]ethyl]ethanamide Openeye Name: N-[2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]ethyl]acetamide CAS Name: N-[2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide Traditional Name: N-[2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]ethyl]acetamide Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

Isomeric SMILES

CC(=O)NCCNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

InChI

InChI=1S/C13H18ClN3O3S/c1-8(18)15-4-5-16-13(21)17-10-7-11(19-2)9(14)6-12(10)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)(H2,16,17,21)