phenethyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H23Br2N3O5S MolecularWeight: 637.34022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C25H23Br2N3O5S/c26-18-7-8-19-17(14-18)6-9-20(24(19)27)35-15-22(32)29-30-25(36)28-21(31)10-11-23(33)34-13-12-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,29,32)(H2,28,30,31,36)