methyl 4-[[(3-azanyl-3-sulfanylidene-propyl)-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-azanyl-3-sulfanylidene-propyl)-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3-amino-3-thioxo-propyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[(3-amino-3-sulfanylidenepropyl)-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-amino-3-sulfanylidenepropyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(3-amino-3-thioxo-propyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CN(CCC(=S)N)CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18N2O2S/c1-15(8-7-12(14)18)9-10-3-5-11(6-4-10)13(16)17-2/h3-6H,7-9H2,1-2H3,(H2,14,18)