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

Systemtic Name: tert-butyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O3S/c1-15-5-7-16(8-6-15)9-10-17(24)21-18(27)22-11-13-23(14-12-22)19(25)26-20(2,3)4/h5-10H,11-14H2,1-4H3,(H,21,24,27)/b10-9+