methyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-diethylaminoethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate Traditional Name: 4-(2-diethylaminoethylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCN(CC)CCNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H23N3O2S/c1-4-18(5-2)11-10-16-15(21)17-13-8-6-12(7-9-13)14(19)20-3/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17,21)