3-phenylpropyl 5-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(2-bromobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2-bromobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(2-bromobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C22H24BrN3O4S/c23-18-12-5-4-11-17(18)21(29)25-26-22(31)24-19(27)13-6-14-20(28)30-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,25,29)(H2,24,26,27,31)