2-diethylaminoethyl 4-(propylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(propylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(propylcarbamothioylamino)benzoate CAS Name: 4-[[propylamino(sulfanylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(propylcarbamothioylamino)benzoate Traditional Name: 4-(propylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCCN(CC)CC

Isomeric SMILES

CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCCN(CC)CC

InChI

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