propyl 2-[3-oxidanylidene-1-[(4-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[3-oxidanylidene-1-[(4-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: propyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(4-amoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

InChI

InChI=1S/C22H31N3O5S/c1-3-5-6-14-29-17-9-7-16(8-10-17)20(27)24-22(31)25-12-11-23-21(28)18(25)15-19(26)30-13-4-2/h7-10,18H,3-6,11-15H2,1-2H3,(H,23,28)(H,24,27,31)