1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl]nipecotamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCCC(C2)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCCC(C2)C(=O)N

InChI

InChI=1S/C17H21N3O3S/c1-23-14-7-4-12(5-8-14)6-9-15(21)19-17(24)20-10-2-3-13(11-20)16(18)22/h4-9,13H,2-3,10-11H2,1H3,(H2,18,22)(H,19,21,24)/b9-6+