methyl 4-[(3-iodanyl-4-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-iodanyl-4-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-iodo-4-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-iodo-4-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-iodo-4-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-iodo-4-methyl-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17IN2O2S MolecularWeight: 392.25575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)I

InChI

InChI=1S/C13H17IN2O2S/c1-9-5-6-10(8-11(9)14)16-13(19)15-7-3-4-12(17)18-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,19)