2-diethylaminoethyl 4-(methylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(methylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(methylcarbamothioylamino)benzoate CAS Name: 4-[[methylamino(sulfanylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(methylcarbamothioylamino)benzoate Traditional Name: 4-(methylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC

InChI

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