ethyl 4-[[(3S)-3-acetamidopiperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3S)-3-acetamidopiperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(3S)-3-acetamidopiperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(3S)-3-acetamido-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-acetamidopiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(3S)-3-acetamidopiperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC[C@@H](C2)NC(=O)C

InChI

InChI=1S/C17H23N3O3S/c1-3-23-16(22)13-6-8-14(9-7-13)19-17(24)20-10-4-5-15(11-20)18-12(2)21/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,21)(H,19,24)/t15-/m0/s1