ethyl 4-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[3-(1-piperidyl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(1-piperidinyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-piperidinopropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCCC2

InChI

InChI=1S/C18H27N3O2S/c1-2-23-17(22)15-7-9-16(10-8-15)20-18(24)19-11-6-14-21-12-4-3-5-13-21/h7-10H,2-6,11-14H2,1H3,(H2,19,20,24)