3-[4-[3,7-bis(bromanyl)-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl]piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[3,7-bis(bromanyl)-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl]piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(3,7-dibromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(3,7-dibromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(3,7-dibromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(3,7-dibromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C20H22Br2N4O2S MolecularWeight: 542.28728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=C3C(=CSC3=NC4=C(N2)C=C(C=C4)Br)Br)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=C3C(=CSC3=NC4=C(N2)C=C(C=C4)Br)Br)C(=O)O

InChI

InChI=1S/C20H22Br2N4O2S/c1-20(2,19(27)28)11-25-5-7-26(8-6-25)17-16-13(22)10-29-18(16)24-14-4-3-12(21)9-15(14)23-17/h3-4,9-10,23H,5-8,11H2,1-2H3,(H,27,28)