methyl 4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H27N3O4S/c1-13(2)10-12-25-15-8-6-14(7-9-15)17(23)20-21-18(26)19-11-4-5-16(22)24-3/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H2,19,21,26)