2-diethylaminoethyl 4-(2-dimethylaminoethylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(2-dimethylaminoethylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(2-dimethylaminoethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(2-dimethylaminoethylcarbamothioylamino)benzoate Traditional Name: 4-(2-dimethylaminoethylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O2S/c1-5-22(6-2)13-14-24-17(23)15-7-9-16(10-8-15)20-18(25)19-11-12-21(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,20,25)