tert-butyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)27-19(25)23-13-11-22(12-14-23)18(28)21-17(24)10-7-15-5-8-16(26-4)9-6-15/h5-10H,11-14H2,1-4H3,(H,21,24,28)/b10-7+