pentyl 2-[1-[(5-bromanyl-2-propoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[(5-bromanyl-2-propoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[(5-bromo-2-propoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[(5-bromo-2-propoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-propoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C22H30BrN3O5S MolecularWeight: 528.4597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

InChI

InChI=1S/C22H30BrN3O5S/c1-3-5-6-12-31-19(27)14-17-21(29)24-9-10-26(17)22(32)25-20(28)16-13-15(23)7-8-18(16)30-11-4-2/h7-8,13,17H,3-6,9-12,14H2,1-2H3,(H,24,29)(H,25,28,32)