2-diethylaminoethyl 4-(propan-2-ylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(propan-2-ylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(isopropylcarbamothioylamino)benzoate CAS Name: 4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(propan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(isopropylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-5-20(6-2)11-12-22-16(21)14-7-9-15(10-8-14)19-17(23)18-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,18,19,23)