propyl 2-[3-oxidanylidene-1-[(2-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[3-oxidanylidene-1-[(2-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(2-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[3-oxo-1-[(2-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(2-isopropoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC(C)C

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C20H27N3O5S/c1-4-11-27-17(24)12-15-19(26)21-9-10-23(15)20(29)22-18(25)14-7-5-6-8-16(14)28-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,26)(H,22,25,29)