2-[4-[3-[[2-(3-bromanylthiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-5-(4-methylphenyl)-4-nitro-1,3-thiazole

Systemtic Name: 2-[4-[3-[[2-(3-bromanylthiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-5-(4-methylphenyl)-4-nitro-1,3-thiazole Openeye Name: 2-[4-[3-[[2-(3-bromo-2-thienyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-4-nitro-5-(p-tolyl)thiazole CAS Name: 2-[4-[3-[[2-(3-bromo-2-thiophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-5-(4-methylphenyl)-4-nitrothiazole IUPAC Name: 2-[4-[3-[[2-(3-bromothiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-5-(4-methylphenyl)-4-nitro-1,3-thiazole Traditional Name: 2-[4-[3-[[2-(3-bromo-2-thienyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]-4-nitro-5-(p-tolyl)thiazole Formula: C32H31BrN6O5S2 MolecularWeight: 723.65974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(S2)N3CCN(CC3)C4=CC(=CC=C4)OCC5COC(O5)(CN6C=CN=C6)C7=C(C=CS7)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(S2)N3CCN(CC3)C4=CC(=CC=C4)OCC5COC(O5)(CN6C=CN=C6)C7=C(C=CS7)Br)[N+](=O)[O-]

InChI

InChI=1S/C32H31BrN6O5S2/c1-22-5-7-23(8-6-22)28-30(39(40)41)35-31(46-28)38-14-12-37(13-15-38)24-3-2-4-25(17-24)42-18-26-19-43-32(44-26,20-36-11-10-34-21-36)29-27(33)9-16-45-29/h2-11,16-17,21,26H,12-15,18-20H2,1H3