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

Systemtic Name: ethyl 4-(3-piperazin-1-ylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-piperazin-1-ylpropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(1-piperazinyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-piperazin-1-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-piperazinopropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCNCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCNCC2

InChI

InChI=1S/C17H26N4O2S/c1-2-23-16(22)14-4-6-15(7-5-14)20-17(24)19-8-3-11-21-12-9-18-10-13-21/h4-7,18H,2-3,8-13H2,1H3,(H2,19,20,24)