ethyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-diethylaminoethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-diethylaminoethylcarbamothioylamino)benzoate Traditional Name: 4-(2-diethylaminoethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-4-19(5-2)12-11-17-16(22)18-14-9-7-13(8-10-14)15(20)21-6-3/h7-10H,4-6,11-12H2,1-3H3,(H2,17,18,22)