1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl 3,4-dimethylbenzoate

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl 3,4-dimethylbenzoate Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methylsulfanylcarbamoylamino]propyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid 1-[[[[(4-hydroxy-3-methoxyphenyl)methylthio]amino]-oxomethyl]amino]propyl ester IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methylsulfanylcarbamoylamino]propyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid 1-[(vanillylthio)carbamoylamino]propyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-19(28-20(25)16-8-6-13(2)14(3)10-16)22-21(26)23-29-12-15-7-9-17(24)18(11-15)27-4/h6-11,19,24H,5,12H2,1-4H3,(H2,22,23,26)