propan-2-yl 2-[(2S)-1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25N3O5S/c1-12(2)27-17(24)11-15-18(25)20-8-9-22(15)19(28)21-16(23)10-13-4-6-14(26-3)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,25)(H,21,23,28)/t15-/m0/s1