3-phenylpropyl 5-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H37N3O6S MolecularWeight: 519.65348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H37N3O6S/c1-19(2)13-17-35-24(32)18-21-25(33)27-14-15-29(21)26(36)28-22(30)11-6-12-23(31)34-16-7-10-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,27,33)(H,28,30,36)