propyl 2-[1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid propyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25N3O5S/c1-3-12-28-18(25)13-16-19(26)21-10-11-23(16)20(29)22-17(24)9-6-14-4-7-15(27-2)8-5-14/h4-9,16H,3,10-13H2,1-2H3,(H,21,26)(H,22,24,29)/b9-6+