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

Systemtic Name: decyl 2-[1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid decyl ester Formula: C27H39N3O5S MolecularWeight: 517.68066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C27H39N3O5S/c1-3-4-5-6-7-8-9-12-19-35-25(32)20-22-26(33)28-17-18-30(22)27(36)29-24(31)16-15-21-13-10-11-14-23(21)34-2/h10-11,13-16,22H,3-9,12,17-20H2,1-2H3,(H,28,33)(H,29,31,36)/b16-15+