methyl 4-(2-morpholin-4-ylcarbothioylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-morpholin-4-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-[[4-morpholinyl(sulfanylidene)methyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(morpholine-4-carbothioylthio)acetyl]amino]benzoic acid methyl ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCOCC2

InChI

InChI=1S/C15H18N2O4S2/c1-20-14(19)11-2-4-12(5-3-11)16-13(18)10-23-15(22)17-6-8-21-9-7-17/h2-5H,6-10H2,1H3,(H,16,18)