propan-2-yl 2-[(2S)-1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[[2-(1-naphthyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(2-naphthalen-1-ylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[[2-(1-naphthyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O4S/c1-14(2)29-20(27)13-18-21(28)23-10-11-25(18)22(30)24-19(26)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18H,10-13H2,1-2H3,(H,23,28)(H,24,26,30)/t18-/m0/s1