3-phenylpropyl 2-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H29N3O4S/c33-26(16-15-23-13-6-12-22-11-4-5-14-24(22)23)31-29(37)32-18-17-30-28(35)25(32)20-27(34)36-19-7-10-21-8-2-1-3-9-21/h1-6,8-9,11-16,25H,7,10,17-20H2,(H,30,35)(H,31,33,37)/b16-15+