decyl 2-[1-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[(3-bromo-4-propoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(3-bromo-4-propoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-propoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C27H40BrN3O5S MolecularWeight: 598.5926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40BrN3O5S/c1-3-5-6-7-8-9-10-11-17-36-24(32)19-22-26(34)29-14-15-31(22)27(37)30-25(33)20-12-13-23(21(28)18-20)35-16-4-2/h12-13,18,22H,3-11,14-17,19H2,1-2H3,(H,29,34)(H,30,33,37)