ethyl 4-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[2-(2-ketopyrrolidino)ethyl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCN3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCN3CCCC3=O

InChI

InChI=1S/C21H29N3O3S/c1-2-27-20(26)17-5-7-18(8-6-17)22-21(28)24-14-10-16(11-15-24)9-13-23-12-3-4-19(23)25/h5-8,16H,2-4,9-15H2,1H3,(H,22,28)