methyl 4-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-isopropoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-propan-2-yloxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-isopropoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-11(2)23-13-8-6-12(7-9-13)15(21)18-19-16(24)17-10-4-5-14(20)22-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,21)(H2,17,19,24)