1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-cyanoethanoylamino)thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-cyanoethanoylamino)thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2-cyanoacetyl)amino]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-cyano-1-oxoethyl)amino]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-cyanoacetyl)amino]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2-cyanoacetyl)amino]thiourea Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)OC)Cl

InChI

InChI=1S/C12H13ClN4O3S/c1-19-9-6-8(10(20-2)5-7(9)13)15-12(21)17-16-11(18)3-4-14/h5-6H,3H2,1-2H3,(H,16,18)(H2,15,17,21)