3-phenylpropyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O4S/c1-19-9-11-21(12-10-19)13-14-23(30)28-26(34)29-16-15-27-25(32)22(29)18-24(31)33-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,32)(H,28,30,34)/b14-13+