3-methylbutyl 2-[3-oxidanylidene-1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[(2-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[(2-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenethyloxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5S/c1-19(2)12-16-35-24(31)18-22-26(33)28-14-15-30(22)27(36)29-25(32)21-10-6-7-11-23(21)34-17-13-20-8-4-3-5-9-20/h3-11,19,22H,12-18H2,1-2H3,(H,28,33)(H,29,32,36)