methyl 4-[[(3,5-dimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3,5-dimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3,5-dimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3,5-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3,5-dimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3,5-dimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H21N3O5S MolecularWeight: 355.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

InChI

InChI=1S/C15H21N3O5S/c1-21-11-7-10(8-12(9-11)22-2)14(20)17-18-15(24)16-6-4-5-13(19)23-3/h7-9H,4-6H2,1-3H3,(H,17,20)(H2,16,18,24)